{2-[dimethyl(4-phenylphenyl)silyl]phenyl}methanol

• ChemBase ID: 297835
• Molecular Formular: C21H22OSi
• Molecular Mass: 318.48428
• Monoisotopic Mass: 318.14399186
• SMILES: C[Si](C)(c1ccc(cc1)c1ccccc1)c1ccccc1CO
• Canonical SMILES: OCc1ccccc1[Si](c1ccc(cc1)c1ccccc1)(C)C
• InChI: InChI=1S/C21H22OSi/c1-23(2,21-11-7-6-10-19(21)16-22)20-14-12-18(13-15-20)17-8-4-3-5-9-17/h3-15,22H,16H2,1-2H3
• InChIKey: BAQIQWQRZODINS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[dimethyl(4-phenylphenyl)silyl]phenyl}methanol
• IUPAC Traditional name: {2-[dimethyl(4-phenylphenyl)silyl]phenyl}methanol
• Synonyms: 2-[(4-Biphenylyl)dimethylsilyl]benzyl alcohol; 2-[(4-联苯基)二甲基硅烷基]苄醇

Database IDs

• MDL Number: MFCD16251561
• PubChem SID: 180683366
• PubChem CID: 57416876

CALCULATED PROPERTIES

• Acid pKa: 15.01316
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.8395
• LogD (pH = 7.4): 5.8395
• Log P: 5.8395
• Molar Refractivity: 93.9989 cm^3
• Polarizability: 40.097454 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%